8016-7318 Screening compound: 5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide

8016-7318 Screening compound: 5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide
8016-7318 Screening compound: 5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7318
5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8016-7318

Molecular Formula

C20H15FN4O4S (C20 H15 FN4 O4 S)

Compound Name

5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-6-yl cyanide

IUPAC name

5-amino-4-(4-fluorophenyl)-7-(3-nitrophenyl)-11-dioxo-2H3H4H7H-1lambda6-thieno[32-b]pyridine-6-carbonitrile

SMILES

NC(N(C(CC1)=C(C2c3cc([N+]([O-])=O)ccc3)S1(=O)=O)c(cc1)ccc1F)=C2C#N

InChI

InChI=1S/C20H15FN4O4S/c21-13-4-6-14(7-5-13)24-17-8-9-30(28,29)19(17)18(16(11-22)20(24)23)12-2-1-3-15(10-12)25(26)27/h1-7,10,18H,8-9,23H2/t18-/m0/s1

InChI Key

QNSUDINIEMQGLF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05858738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.77

Polar Surface Area

101.402

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

8016-7318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7318?
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What is the minimum amount of 8016-7318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7318
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8016-7318 available by request